N-(naphthalen-2-ylmethyl)-5-nitro-2-oxidanyl-3-(1-oxidanylpropan-2-ylamino)benzamide

Systemtic Name: N-(naphthalen-2-ylmethyl)-5-nitro-2-oxidanyl-3-(1-oxidanylpropan-2-ylamino)benzamide Openeye Name: 2-hydroxy-3-[(2-hydroxy-1-methyl-ethyl)amino]-N-(2-naphthylmethyl)-5-nitro-benzamide CAS Name: 2-hydroxy-3-(1-hydroxypropan-2-ylamino)-N-(2-naphthalenylmethyl)-5-nitrobenzamide IUPAC Name: 2-hydroxy-3-(1-hydroxypropan-2-ylamino)-N-(naphthalen-2-ylmethyl)-5-nitrobenzamide Traditional Name: 2-hydroxy-3-[(2-hydroxy-1-methyl-ethyl)amino]-N-(2-naphthylmethyl)-5-nitro-benzamide Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)NC1=C(C(=CC(=C1)[N+](=O)[O-])C(=O)NCC2=CC3=CC=CC=C3C=C2)O

Isomeric SMILES

CC(CO)NC1=C(C(=CC(=C1)[N+](=O)[O-])C(=O)NCC2=CC3=CC=CC=C3C=C2)O

InChI

InChI=1S/C21H21N3O5/c1-13(12-25)23-19-10-17(24(28)29)9-18(20(19)26)21(27)22-11-14-6-7-15-4-2-3-5-16(15)8-14/h2-10,13,23,25-26H,11-12H2,1H3,(H,22,27)